ChemSpider 2D Image | N-{1-[7-(4-Isopropylbenzyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]-3-methylbutyl}-5-(methoxymethyl)-2-furamide | C28H39N5O3

N-{1-[7-(4-Isopropylbenzyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]-3-methylbutyl}-5-(methoxymethyl)-2-furamide

  • Molecular FormulaC28H39N5O3
  • Average mass493.641 Da
  • Monoisotopic mass493.305298 Da
  • ChemSpider ID22174591

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-Furancarboxamide, 5-(methoxymethyl)-N-[3-methyl-1-[6,7,8,9-tetrahydro-7-[[4-(1-methylethyl)phenyl]methyl]-5H-1,2,4-triazolo[4,3-d][1,4]diazepin-3-yl]butyl]- [ACD/Index Name]
N-{1-[7-(4-Isopropylbenzyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]-3-methylbutyl}-5-(methoxymethyl)-2-furamid [German] [ACD/IUPAC Name]
N-{1-[7-(4-Isopropylbenzyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]-3-methylbutyl}-5-(methoxymethyl)-2-furamide [ACD/IUPAC Name]
N-{1-[7-(4-Isopropylbenzyl)-6,7,8,9-tétrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazépin-3-yl]-3-méthylbutyl}-5-(méthoxyméthyl)-2-furamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.604
Molar Refractivity: 141.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 19.52
ACD/KOC (pH 5.5): 116.07
ACD/LogD (pH 7.4): 3.74
ACD/BCF (pH 7.4): 380.59
ACD/KOC (pH 7.4): 2263.32
Polar Surface Area: 85 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 42.9±7.0 dyne/cm
Molar Volume: 410.4±7.0 cm3

Click to predict properties on the Chemicalize site


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